4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide

C26H23NO — CID 71240770

IUPAC4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CC2(C3=Cc4ccccc4C3)Cc3ccccc3C2)cc1
InChIInChI=1S/C26H23NO/c27-25(28)19-11-9-18(10-12-19)15-26(16-22-7-3-4-8-23(22)17-26)24-13-20-5-1-2-6-21(20)14-24/h1-13H,14-17H2,(H2,27,28)
InChIKeyBHQAWGIGQIWLMM-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.75
Rot. Bonds4

About 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide

4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide (PubChem CID 71240770) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
PubChem CID71240770
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CC2(C3=Cc4ccccc4C3)Cc3ccccc3C2)cc1
InChIInChI=1S/C26H23NO/c27-25(28)19-11-9-18(10-12-19)15-26(16-22-7-3-4-8-23(22)17-26)24-13-20-5-1-2-6-21(20)14-24/h1-13H,14-17H2,(H2,27,28)
InChIKeyBHQAWGIGQIWLMM-UHFFFAOYSA-N
XLogP4.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide (CID 71240770) is 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide is NC(=O)c1ccc(CC2(C3=Cc4ccccc4C3)Cc3ccccc3C2)cc1.
What is the InChIKey of 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
The InChIKey is BHQAWGIGQIWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c27-25(28)19-11-9-18(10-12-19)15-26(16-22-7-3-4-8-23(22)17-26)24-13-20-5-1-2-6-21(20)14-24/h1-13H,14-17H2,(H2,27,28).
What are the key properties of 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide?
4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzamide is sourced from PubChem (CID 71240770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).